| CAS Number | 64932-36-1 |
| Catalog Number | AG01A6EX(AGN-PC-0NFZ7A) |
| Chemical Name | 2-Bromo-3-methylbutanal |
| IUPAC Name | 2-bromo-3-methylbutanal |
| InChI | InChI=1S/C5H9BrO/c1-4(2)5(6)3-7/h3-5H,1-2H3 |
| InChI Key | PYXPYXVGFLQQIS-UHFFFAOYSA-N |
| MDL Number | MFCD11846369 |
| Molecular Formula | C5H9BrO |
| Molecular Weight | 165.0284 |
| SMILES | CC(C(C=O)Br)C |
| Synonyms | 2-Bromo-3-methylbutanal,
64932-36-1,
2-bromo-3-methylbutyraldehyde,
2-bromo-3-methyl-butanaldehyde,
SCHEMBL996739,
DTXSID00455334,
PYXPYXVGFLQQIS-UHFFFAOYSA-N,
9932AB,
MFCD11846369,
AKOS016009345,
NE38989,
C5H9BrO,
2-bromo-3-methyl-butanal,
2-bromo-3-methylbutanaldehyde,
Butanal, 2-bromo-3-methyl-,
CID11105707,
|
| Complexity | 61.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.03g/mol |
| Monoisotopic Mass | 163.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number